2,2,2-trifluoro-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]ethanone

C8H13F3N2O2 — CID 155354216

IUPAC2,2,2-trifluoro-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]ethanone
SMILESCNC[C@H]1CN(C(=O)C(F)(F)F)CCO1
InChIInChI=1S/C8H13F3N2O2/c1-12-4-6-5-13(2-3-15-6)7(14)8(9,10)11/h6,12H,2-5H2,1H3/t6-/m0/s1
InChIKeyAXINUCPARTVZAB-LURJTMIESA-N
MW226.20 g/mol
LogP-0.00
Rot. Bonds2

About 2,2,2-trifluoro-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]ethanone

2,2,2-trifluoro-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]ethanone (PubChem CID 155354216) has the molecular formula C8H13F3N2O2 and a molecular weight of 226.20 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2,2,2-trifluoro-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]ethanone
PubChem CID155354216
Molecular FormulaC8H13F3N2O2
Molecular Weight226.20 g/mol
Exact Mass226.09
IUPAC Name2,2,2-trifluoro-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]ethanone
SMILESCNC[C@H]1CN(C(=O)C(F)(F)F)CCO1
InChIInChI=1S/C8H13F3N2O2/c1-12-4-6-5-13(2-3-15-6)7(14)8(9,10)11/h6,12H,2-5H2,1H3/t6-/m0/s1
InChIKeyAXINUCPARTVZAB-LURJTMIESA-N
XLogP-0.00
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.20
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2,2,2-trifluoro-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]ethanone (CID 155354216) is 2,2,2-trifluoro-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2,2,2-trifluoro-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2,2,2-trifluoro-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]ethanone is CNC[C@H]1CN(C(=O)C(F)(F)F)CCO1.
What is the InChIKey of 2,2,2-trifluoro-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]ethanone?
The InChIKey is AXINUCPARTVZAB-LURJTMIESA-N. The full InChI is InChI=1S/C8H13F3N2O2/c1-12-4-6-5-13(2-3-15-6)7(14)8(9,10)11/h6,12H,2-5H2,1H3/t6-/m0/s1.
What are the key properties of 2,2,2-trifluoro-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]ethanone?
2,2,2-trifluoro-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]ethanone has a molecular weight of 226.20 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-[(2S)-2-(methylaminomethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 155354216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).